4-Ethyl-5-[(2-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 403990-81-8]

Identification

• Name: 4-Ethyl-5-[(2-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Ethyl-5-[(2-methylphenoxy)methyl]-; 4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₁₅N₃OS
• Molecular Weight: 249.33
• CAS Registry Number: 403990-81-8
• SMILES: CCN1C(=NN=C1S)COC2=CC=CC=C2C
• InChI: 1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)8-16-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,14,17)
• InChIKey: SKWYYPGBQTZOQF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 429.3±47.0°C at 760 mmHg (Cal.)
• Flash point: 213.4±29.3°C (Cal.)
• Refractive index: 1.62 (Cal.)

Safety Data

• Safety Description: IRRITANT